Behrooz Tahmasebi

Behrooz Tahmasebi, Stefanie Jegelka

In practice, encoding invariances into models improves sample complexity. In this work, we study this phenomenon from a theoretical perspective. In particular, we provide minimax optimal rates for kernel ridge regression on compact manifolds, with a target function that is invariant to a group action on the manifold. Our results hold for any smooth compact Lie group action, even groups of positive dimension. For a finite group, the gain effectively multiplies the number of samples by the group size. For groups of positive dimension, the gain is observed by a reduction in the manifold's dimension, in addition to a factor proportional to the volume of the quotient space. Our proof takes the viewpoint of differential geometry, in contrast to the more common strategy of using invariant polynomials. This new geometric viewpoint on learning with invariances may be of independent interest.

Behrooz Tahmasebi, Stefanie Jegelka

Group-invariant probability distributions appear in many data-generative models in machine learning, such as graphs, point clouds, and images. In practice, one often needs to estimate divergences between such distributions. In this work, we study how the inherent invariances, with respect to any smooth action of a Lie group on a manifold, improve sample complexity when estimating the 1-Wasserstein distance, the Sobolev Integral Probability Metrics (Sobolev IPMs), the Maximum Mean Discrepancy (MMD), and also the complexity of the density estimation problem (in the $L^2$ and $L^\infty$ distance). Our results indicate a two-fold gain: (1) reducing the sample complexity by a multiplicative factor corresponding to the group size (for finite groups) or the normalized volume of the quotient space (for groups of positive dimension); (2) improving the exponent in the convergence rate (for groups of positive dimension). These results are completely new for groups of positive dimension and extend recent bounds for finite group actions.

Behrooz Tahmasebi, Melanie Weber

Enforcing exact symmetry in machine learning models often yields significant gains in scientific applications, serving as a powerful inductive bias. However, recent work suggests that relying on approximate symmetry can offer greater flexibility and robustness. Despite promising empirical evidence, there has been little theoretical understanding, and in particular, a direct comparison between exact and approximate symmetry is missing from the literature. In this paper, we initiate this study by asking: What is the cost of enforcing exact versus approximate symmetry? To address this question, we introduce averaging complexity, a framework for quantifying the cost of enforcing symmetry via averaging. Our main result is an exponential separation: under standard conditions, achieving exact symmetry requires linear averaging complexity, whereas approximate symmetry can be attained with only logarithmic averaging complexity. To the best of our knowledge, this provides the first theoretical separation of these two cases, formally justifying why approximate symmetry may be preferable in practice. Beyond this, our tools and techniques may be of independent interest for the broader study of symmetries in machine learning.

Nikolaos Karalias, Akbar Rafiey, Yifei Xu et al.

Self-Supervised Learning (SSL) for Combinatorial Optimization (CO) is an emerging paradigm for solving combinatorial problems using neural networks. In this paper, we address a central challenge of SSL for CO: solving problems with discrete constraints. We design an end-to-end differentiable framework that enables us to solve discrete constrained optimization problems with neural networks. Concretely, we leverage algorithmic techniques from the literature on convex geometry and Carathéodory's theorem to decompose neural network outputs into convex combinations of polytope corners that correspond to feasible sets. This decomposition-based approach enables self-supervised training but also ensures efficient quality-preserving rounding of the neural net output into feasible solutions. Extensive experiments in cardinality-constrained optimization show that our approach can consistently outperform neural baselines. We further provide worked-out examples of how our method can be applied beyond cardinality-constrained problems to a diverse set of combinatorial optimization tasks, including finding independent sets in graphs, and solving matroid-constrained problems.

Ashkan Soleymani, Behrooz Tahmasebi, Stefanie Jegelka et al.

We study the statistical-computational trade-offs for learning with exact invariances (or symmetries) using kernel regression. Traditional methods, such as data augmentation, group averaging, canonicalization, and frame-averaging, either fail to provide a polynomial-time solution or are not applicable in the kernel setting. However, with oracle access to the geometric properties of the input space, we propose a polynomial-time algorithm that learns a classifier with \emph{exact} invariances. Moreover, our approach achieves the same excess population risk (or generalization error) as the original kernel regression problem. To the best of our knowledge, this is the first polynomial-time algorithm to achieve exact (not approximate) invariances in this context. Our proof leverages tools from differential geometry, spectral theory, and optimization. A key result in our development is a new reformulation of the problem of learning under invariances as optimizing an infinite number of linearly constrained convex quadratic programs, which may be of independent interest.

Behrooz Tahmasebi, Ashkan Soleymani, Dara Bahri et al.

Recently, there has been a surge in interest in developing optimization algorithms for overparameterized models as achieving generalization is believed to require algorithms with suitable biases. This interest centers on minimizing sharpness of the original loss function; the Sharpness-Aware Minimization (SAM) algorithm has proven effective. However, most literature only considers a few sharpness measures, such as the maximum eigenvalue or trace of the training loss Hessian, which may not yield meaningful insights for non-convex optimization scenarios like neural networks. Additionally, many sharpness measures are sensitive to parameter invariances in neural networks, magnifying significantly under rescaling parameters. Motivated by these challenges, we introduce a new class of sharpness measures in this paper, leading to new sharpness-aware objective functions. We prove that these measures are \textit{universally expressive}, allowing any function of the training loss Hessian matrix to be represented by appropriate hyperparameters. Furthermore, we show that the proposed objective functions explicitly bias towards minimizing their corresponding sharpness measures, and how they allow meaningful applications to models with parameter invariances (such as scale-invariances). Finally, as instances of our proposed general framework, we present \textit{Frob-SAM} and \textit{Det-SAM}, which are specifically designed to minimize the Frobenius norm and the determinant of the Hessian of the training loss, respectively. We also demonstrate the advantages of our general framework through extensive experiments.

Parsa Moradi, Behrooz Tahmasebi, Mohammad Ali Maddah-Ali

Coded computing has emerged as a promising framework for tackling significant challenges in large-scale distributed computing, including the presence of slow, faulty, or compromised servers. In this approach, each worker node processes a combination of the data, rather than the raw data itself. The final result then is decoded from the collective outputs of the worker nodes. However, there is a significant gap between current coded computing approaches and the broader landscape of general distributed computing, particularly when it comes to machine learning workloads. To bridge this gap, we propose a novel foundation for coded computing, integrating the principles of learning theory, and developing a framework that seamlessly adapts with machine learning applications. In this framework, the objective is to find the encoder and decoder functions that minimize the loss function, defined as the mean squared error between the estimated and true values. Facilitating the search for the optimum decoding and functions, we show that the loss function can be upper-bounded by the summation of two terms: the generalization error of the decoding function and the training error of the encoding function. Focusing on the second-order Sobolev space, we then derive the optimal encoder and decoder. We show that in the proposed solution, the mean squared error of the estimation decays with the rate of $\mathcal{O}(S^3 N^{-3})$ and $\mathcal{O}(S^{\frac{8}{5}}N^{\frac{-3}{5}})$ in noiseless and noisy computation settings, respectively, where $N$ is the number of worker nodes with at most $S$ slow servers (stragglers). Finally, we evaluate the proposed scheme on inference tasks for various machine learning models and demonstrate that the proposed framework outperforms the state-of-the-art in terms of accuracy and rate of convergence.

Behrooz Tahmasebi, Derek Lim, Stefanie Jegelka

While message passing Graph Neural Networks (GNNs) have become increasingly popular architectures for learning with graphs, recent works have revealed important shortcomings in their expressive power. In response, several higher-order GNNs have been proposed that substantially increase the expressive power, albeit at a large computational cost. Motivated by this gap, we explore alternative strategies and lower bounds. In particular, we analyze a new recursive pooling technique of local neighborhoods that allows different tradeoffs of computational cost and expressive power. First, we prove that this model can count subgraphs of size $k$, and thereby overcomes a known limitation of low-order GNNs. Second, we show how recursive pooling can exploit sparsity to reduce the computational complexity compared to the existing higher-order GNNs. More generally, we provide a (near) matching information-theoretic lower bound for counting subgraphs with graph representations that pool over representations of derived (sub-)graphs. We also discuss lower bounds on time complexity.